[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C20H27N3O5S/c1-14(2)11-18-21-19(28-22-18)13-27-20(24)17-12-16(8-7-15(17)3)29(25,26)23-9-5-4-6-10-23/h7-8,12,14H,4-6,9-11,13H2,1-3H3